2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine

C17H24N4O — CID 110096855

IUPAC2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccccc1C1CN(Cc2nccn2C)CCN1C
InChIInChI=1S/C17H24N4O/c1-19-10-11-21(13-17-18-8-9-20(17)2)12-15(19)14-6-4-5-7-16(14)22-3/h4-9,15H,10-13H2,1-3H3
InChIKeyCTADPHGNNSLEPE-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine

2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine (PubChem CID 110096855) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
PubChem CID110096855
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
SMILESCOc1ccccc1C1CN(Cc2nccn2C)CCN1C
InChIInChI=1S/C17H24N4O/c1-19-10-11-21(13-17-18-8-9-20(17)2)12-15(19)14-6-4-5-7-16(14)22-3/h4-9,15H,10-13H2,1-3H3
InChIKeyCTADPHGNNSLEPE-UHFFFAOYSA-N
XLogP1.92
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Neticonazole
CID 5282433
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917635
1-[2-(1-Imidazol-1-ylethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20471574
2-(3-Cyano-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697104
5-Imidazol-1-ylmethyl-2-(2-methoxy-phenyl)pyridine
CID 44456188
4-Imidazol-1-ylmethyl-2-phenethyloxy-benzonitrile
CID 44458273
4-Imidazol-1-ylmethyl-2-(3-phenyl-propoxy)-benzonitrile
CID 44458275
4-Imidazol-1-ylmethyl-2-(4-phenyl-butoxy)-benzonitrile
CID 44458291
4-Methoxy-3,5-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridine
CID 165414919

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine (CID 110096855) is 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine is COc1ccccc1C1CN(Cc2nccn2C)CCN1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine?
The InChIKey is CTADPHGNNSLEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19-10-11-21(13-17-18-8-9-20(17)2)12-15(19)14-6-4-5-7-16(14)22-3/h4-9,15H,10-13H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine?
2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine has a molecular weight of 300.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 110096855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).